Information card for entry 4063119

Structure parameters

• Formula: C68 H62 N6 Zr
• Calculated formula: C68 H62 N6 Zr
• SMILES: [Zr]12([n]3ccc4ccccc4c3c3c4ccccc4ccc3N1c1ccccc1)([n]1ccc3ccccc3c1c1c3ccccc3ccc1N2c1ccccc1)(N(C)C)N(C)C.c1ccccc1C.c1ccccc1C
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 9.4967 ± 0.0002 Å
• b: 26.4826 ± 0.0007 Å
• c: 21.1702 ± 0.0005 Å
• α: 90°
• β: 90.2338 ± 0.0011°
• γ: 90°
• Cell volume: 5324.2 ± 0.2 ų
• Cell temperature: 117 ± 2 K
• Ambient diffraction temperature: 117 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No